3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride

C12H15Cl2N5O — CID 166485559

IUPAC3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1.Cl
InChIInChI=1S/C12H14ClN5O.ClH/c1-8-16-11(17-19-8)9-6-10(13)12(15-7-9)18-4-2-14-3-5-18;/h6-7,14H,2-5H2,1H3;1H
InChIKeyZQNRFXWKLZIGGN-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.92
Rot. Bonds2

About 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride

3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 166485559) has the molecular formula C12H15Cl2N5O and a molecular weight of 316.19 g/mol. Its IUPAC name is 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID166485559
Molecular FormulaC12H15Cl2N5O
Molecular Weight316.19 g/mol
Exact Mass315.07
IUPAC Name3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1.Cl
InChIInChI=1S/C12H14ClN5O.ClH/c1-8-16-11(17-19-8)9-6-10(13)12(15-7-9)18-4-2-14-3-5-18;/h6-7,14H,2-5H2,1H3;1H
InChIKeyZQNRFXWKLZIGGN-UHFFFAOYSA-N
XLogP1.92
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride (CID 166485559) is 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride is Cc1nc(-c2cnc(N3CCNCC3)c(Cl)c2)no1.Cl.
What is the InChIKey of 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZQNRFXWKLZIGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O.ClH/c1-8-16-11(17-19-8)9-6-10(13)12(15-7-9)18-4-2-14-3-5-18;/h6-7,14H,2-5H2,1H3;1H.
What are the key properties of 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride?
3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 316.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 166485559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).